3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine

C10H13FN2O — CID 88596184

IUPAC3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine
SMILESNCC(F)CO/N=C/c1ccccc1
InChIInChI=1S/C10H13FN2O/c11-10(6-12)8-14-13-7-9-4-2-1-3-5-9/h1-5,7,10H,6,8,12H2/b13-7+
InChIKeyWEELKHULXWGQCP-NTUHNPAUSA-N
MW196.23 g/mol
LogP1.33
Rot. Bonds5

About 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine

3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine (PubChem CID 88596184) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine
PubChem CID88596184
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine
SMILESNCC(F)CO/N=C/c1ccccc1
InChIInChI=1S/C10H13FN2O/c11-10(6-12)8-14-13-7-9-4-2-1-3-5-9/h1-5,7,10H,6,8,12H2/b13-7+
InChIKeyWEELKHULXWGQCP-NTUHNPAUSA-N
XLogP1.33
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(benzylideneamino)oxy-2-fluoropropan-1-amine
CID 54426096
methyl (2R)-3-[(E)-benzylideneamino]oxy-2-methylpropanoate
CID 10977007
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
ethyl 2-[[(E)-benzylideneamino]oxymethyl]-3-(4-fluorophenyl)-3-hydroxypropanoate
CID 11530312
1-phenyl-N-(2-trimethylsilylethoxy)methanimine
CID 86645112
(3R)-3-amino-4-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-one
CID 172985909
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate
CID 86754441
1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine
CID 58684150
ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278
(E)-N-heptoxy-1-phenylmethanimine
CID 11241455
(E)-N-octoxy-1-phenylmethanimine
CID 25012804

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine?
The IUPAC name of 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine (CID 88596184) is 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine.
What is the SMILES notation for 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine?
The canonical SMILES for 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine is NCC(F)CO/N=C/c1ccccc1.
What is the InChIKey of 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine?
The InChIKey is WEELKHULXWGQCP-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-10(6-12)8-14-13-7-9-4-2-1-3-5-9/h1-5,7,10H,6,8,12H2/b13-7+.
What are the key properties of 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine?
3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine has a molecular weight of 196.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-benzylideneamino]oxy-2-fluoropropan-1-amine is sourced from PubChem (CID 88596184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).